General Information of the Compound
| Compound ID |
CP0493244
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3-Chloro-thiophen-2-yl)-3-(4-trifluoromethoxy-phenyl)-[1,2,4]oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H6ClF3N2O2S
|
||||||||||||||||||
| Molecular Weight |
346.717
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)-c1noc(n1)-c1sccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H6ClF3N2O2S/c14-9-5-6-22-10(9)12-18-11(19-21-12)7-1-3-8(4-2-7)20-13(15,16)17/h1-6H
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQJZUMHDYQXTTI-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound